SCHEMBL1666839

SCHEMBL1666839

O=C(O)CCNCl.OBO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.40
EGLN1 Q9GZT9 3/20 0.40
ALKBH5 Q6P6C2 1/20 0.40
SUCNR1 Q9BXA5 1/20 0.40
TSHR P16473 3/20 0.38
ECE1 P42892 1/20 0.38
BBOX1 O75936 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.36
NFKB1 P19838 1/20 0.35
PMP22 Q01453 1/20 0.35
KDM4E B2RXH2 3/20 0.35
KDM5C P41229 3/20 0.35
PHF8 Q9UPP1 3/20 0.35
KDM2A Q9Y2K7 3/20 0.35
KDM6B O15054 2/20 0.35
FOLH1 Q04609 1/20 0.35
PRMT1 Q99873 1/20 0.34
FFAR3 O14843 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3381932 0.92
SCHEMBL3379761 0.76
SCHEMBL14545890 0.74
SCHEMBL372593 0.72 TSHR (0.60) LMNATSHRSLC22A6NFKB1PMP22
SCHEMBL11811606 0.72 TSHR (0.60) LMNATSHRSLC22A6NFKB1PMP22
SCHEMBL1191720 0.68 LMNA (0.40) LMNAEGLN1ALKBH5SUCNR1TSHR
SCHEMBL109879 0.67 LMNA (0.53) LMNAEGLN1ALKBH5SUCNR1TSHR
SCHEMBL16360052 0.67 LMNA (0.53) LMNAEGLN1ALKBH5SUCNR1TSHR
SCHEMBL5035377 0.65 LMNA (0.50) LMNAEGLN1ALKBH5SUCNR1TSHR
SCHEMBL17433002 0.65 LMNA (0.50) LMNAEGLN1ALKBH5SUCNR1TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140227201-A1 Antimicrobial Gel Formulations NOVABAY PHARMACEUTICALS, INC. 2014-08-14 US claimed
US-20110151025-A1 Compositions Comprising N-Halogenated or N,N-Dihalogenated Amine for Treatment and Prophylaxis of Bronchopulmonary Infections NOVABAY PHARMACEUTICALS, INC. 2011-06-23 US claimed
EP-2265267-A1 COMPOSITIONS COMPRISING N-HALOGENATED OR N, N-DIHALOGENATED AMINE FOR TREATMENT AND PROPHYLAXIS OF BRONCHOPULMONARY INFECTIONS NovaBay Pharmaceuticals, Inc. (US) 2010-12-29 EP claimed
US-20100272783-A1 Methods of Treating Infections of the Nail NOVABAY PHARMACEUTICALS, INC. 2010-10-28 US claimed
US-20100076089-A1 ANTIMICROBIAL GEL FORMULATIONS NOVABAY PHARMACEUTICALS, INC. 2010-03-25 US claimed
US-20100010456-A1 System and Method for the Prevention of Bacterial and Fungal Infections Including Urinary Tract Infection (UTI) Using N-Halogenated Amino Acids NOVACAL PHARMACEUTICALS, INC. 2010-01-14 US claimed
WO-2009126912-A1 COMPOSITIONS COMPRISING N-HALOGENATED OR N, N-DIHALOGENATED AMINE FOR TREATMENT AND PROPHYLAXIS OF BRONCHOPULMONARY INFECTIONS NOVABAY PHARMACEUTICALS, INC. (US) 2009-10-15 WO claimed
EP-2265267-B1 COMPOSITIONS COMPRISING N-HALOGENATED OR N, N-DIHALOGENATED AMINE FOR TREATMENT AND PROPHYLAXIS OF BRONCHOPULMONARY INFECTIONS GOTTARDI WALDEMAR (AT) 2016-09-21 EP disclosed
US-20140227201-A1 Antimicrobial Gel Formulations NOVABAY PHARMACEUTICALS, INC. 2014-08-14 US disclosed
US-20120282351-A1 System and Method for The Prevention of Bacterial and Fungal Infections Including Urinary Tract Infections (UTI) Using N-Halogenated Amino Acids NOVABAY PHARMACEUTICALS, INC. 2012-11-08 US disclosed
US-20110151025-A1 Compositions Comprising N-Halogenated or N,N-Dihalogenated Amine for Treatment and Prophylaxis of Bronchopulmonary Infections NOVABAY PHARMACEUTICALS, INC. 2011-06-23 US disclosed
EP-2312939-A1 ANTIMICROBIAL GEL FORMULATIONS NovaBay Pharmaceuticals, Inc. (US) 2011-04-27 EP disclosed
US-7846971-B2 N-halogenated amino acids, N,N-dihalogenated amino acids and derivatives; compositions and methods of using them NOVABAY PHARMACEUTICALS, INC. (US) 2010-12-07 US disclosed
US-20100010456-A1 System and Method for the Prevention of Bacterial and Fungal Infections Including Urinary Tract Infection (UTI) Using N-Halogenated Amino Acids NOVACAL PHARMACEUTICALS, INC. 2010-01-14 US disclosed
EP-1948154-A1 SYSTEM AND METHOD FOR THE PREVENTION OF BACTERIAL AND FUNGAL INFECTIONS INCLUDING URINARY TRACT INFECTIONS (UTI) USING N-HALOGENATED AMINO ACIDS Novabay Pharmaceuticals, Inc. (US) 2008-07-30 EP disclosed
EP-1896001-A1 N-HALOGENATED AMINO ACIDS AND N, N-DIHALOGENATED AMINO ACIDS IN COMBINATION WITH HYPOHALOUS ACIDS Novabay Pharmaceuticals, Inc. (US) 2008-03-12 EP disclosed
US-20070244449-A1 System and method for the prevention of bacterial and fungal infections including Urinary Tract Infections (UTI) using N-halogenated amino acids NOVACAL PHARMACEUTICALS, INC. 2007-10-18 US disclosed
WO-2007044559-A1 SYSTEM AND METHOD FOR THE PREVENTION OF BACTERIAL AND FUNGAL INFECTIONS INCLUDING URINARY TRACT INFECTIONS (UTI) USING N-HALOGENATED AMINO ACIDS NOVABAY PHARMACEUTICALS, INC. (US) 2007-04-19 WO disclosed
US-20060247209-A1 N-halogenated amino acids, N,N-dihalogenated amino acids and derivatives; compositions and methods of using them NOVABAY PHARMACEUTICALS, INC. 2006-11-02 US disclosed
WO-2006081392-A1 N-HALOGENATED AMINO ACIDS AND N, N-DIHALOGENATED AMINO ACIDS IN COMBINATION WITH HYPOHALOUS ACIDS NOVABAY PHARMACEUTICALS, INC. (US) 2006-08-03 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100272783-A1 Methods of Treating Infections of the Nail POLR1C, TYR, NACA LMNA 3446/4885EGLN1 339/4885ALKBH5 1216/4885
US-20140227201-A1 Antimicrobial Gel Formulations CUTA, TUBA3C, POLR1C LMNA 3899/4885EGLN1 524/4885ALKBH5 3355/4885
US-20110151025-A1 Compositions Comprising N-Halogenated or N,N-Dihalogenated Amine for Treatment and Prophylaxis of Bronchopulmonary Infections CFTR, NAT1, ELANE LMNA 2673/4885EGLN1 500/4885ALKBH5 647/4885
US-20100076089-A1 ANTIMICROBIAL GEL FORMULATIONS CUTA, TUBA3C, POLR1C LMNA 3899/4885EGLN1 524/4885ALKBH5 3355/4885
US-20060247209-A1 N-halogenated amino acids, N,N-dihalogenated amino acids and derivatives; compositions and methods of using them DAO, ASNS, DDC LMNA 3988/4885EGLN1 654/4885ALKBH5 230/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.